CID 13662059

695-76-1

Structural Information

Molecular Formula

C₄H₇N₃S₂

SMILES

C1CN(C(=S)N1)C(=S)N

InChI

InChI=1S/C4H7N3S2/c5-3(8)7-2-1-6-4(7)9/h1-2H2,(H2,5,8)(H,6,9)

InChIKey

CBROQIPVRZGUBN-UHFFFAOYSA-N

Compound name

2-sulfanylideneimidazolidine-1-carbothioamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 1
Patents: 161.00813 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	162.015406	130.9
[M+Na]+	183.997348	139.1
[M-H]-	160.000854	130.0
[M+NH4]+	179.041953	150.4
[M+K]+	199.971288	134.6
[M+H-H2O]+	144.005390	125.3
[M+HCOO]-	206.006331	139.5
[M+CH3COO]-	220.021981	172.5
[M+Na-2H]-	181.982796	128.5
[M]+	161.00758142	125.9
[M]-	161.00867858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe